2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide

C79H57ClF6N10O12 — CID 158017162

About 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide

2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide (PubChem CID 158017162) has the molecular formula C79H57ClF6N10O12 and a molecular weight of 1493.86 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide
• PubChem CID: 158017162
• Molecular Formula: C79H57ClF6N10O12
• Molecular Weight: 1493.86 g/mol
• Exact Mass: 1492.41
• IUPAC Name: 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)cc1.[2H]C1([2H])Oc2cc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2O1.[2H]C1([2H])Oc2cc(C)c(-c3ccc(NC(=O)c4ccccc4Cl)nc3)cc2O1.[2H]C1([2H])Oc2cc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2O1
• InChI: InChI=1S/C20H15ClN2O3.C20H15F2N3O3.C20H14F2N2O3.C19H13F2N3O3/c1-12-8-17-18(26-11-25-17)9-15(12)13-6-7-19(22-10-13)23-20(24)14-4-2-3-5-16(14)21;1-11-3-5-13(6-4-11)19(26)25-18-10-23-15(9-24-18)14-8-17-16(7-12(14)2)27-20(21,22)28-17;1-11-7-16-17(27-10-26-16)8-13(11)12-5-6-18(23-9-12)24-20(25)19-14(21)3-2-4-15(19)22;1-10-5-15-16(27-9-26-15)6-11(10)14-7-23-17(8-22-14)24-19(25)18-12(20)3-2-4-13(18)21/h2-10H,11H2,1H3,(H,22,23,24);3-10H,1-2H3,(H,24,25,26);2-9H,10H2,1H3,(H,23,24,25);2-8H,9H2,1H3,(H,23,24,25)/i11D2;;10D2;9D2
• InChIKey: FFPNWRIOBGKCRF-IKKQLOQJSA-N
• XLogP: 17.05
• TPSA: 267.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1493.86
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide?

The IUPAC name of 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide (CID 158017162) is 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide.

What is the SMILES notation for 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide?

The canonical SMILES for 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)cc1.[2H]C1([2H])Oc2cc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)cc2O1.[2H]C1([2H])Oc2cc(C)c(-c3ccc(NC(=O)c4ccccc4Cl)nc3)cc2O1.[2H]C1([2H])Oc2cc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2O1.

What is the InChIKey of 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide?

The InChIKey is FFPNWRIOBGKCRF-IKKQLOQJSA-N. The full InChI is InChI=1S/C20H15ClN2O3.C20H15F2N3O3.C20H14F2N2O3.C19H13F2N3O3/c1-12-8-17-18(26-11-25-17)9-15(12)13-6-7-19(22-10-13)23-20(24)14-4-2-3-5-16(14)21;1-11-3-5-13(6-4-11)19(26)25-18-10-23-15(9-24-18)14-8-17-16(7-12(14)2)27-20(21,22)28-17;1-11-7-16-17(27-10-26-16)8-13(11)12-5-6-18(23-9-12)24-20(25)19-14(21)3-2-4-15(19)22;1-10-5-15-16(27-9-26-15)6-11(10)14-7-23-17(8-22-14)24-19(25)18-12(20)3-2-4-13(18)21/h2-10H,11H2,1H3,(H,22,23,24);3-10H,1-2H3,(H,24,25,26);2-9H,10H2,1H3,(H,23,24,25);2-8H,9H2,1H3,(H,23,24,25)/i11D2;;10D2;9D2.

What are the key properties of 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide?

2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide has a molecular weight of 1493.86 g/mol, XLogP of 17.05, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]benzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-dideuterio-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylbenzamide is sourced from PubChem (CID 158017162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).